Grundinformationen
- Standard-SMILES
CCOC(=O)CNCC(=O)OCC- InChIKey
LJDNMOCAQVXVKY-UHFFFAOYSA-N- Summenformel
- C8H15NO4
- Durchschnittliche Molmasse
- 189,21 g/mol
- Monoisotopische Masse
- 189,10010796
Namen und Bezeichner
- Bevorzugter Name
- Diethyl iminodiacetate
- IUPAC
- ethyl 2-[(2-ethoxy-2-oxoethyl)amino]acetate
- Englischer Name
- Diethyl iminodiacetate
- Summenformel
- C8H15NO4
- Molmasse
- 189.21
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6290-05-7- PubChem CID
- 80502
- DTXSID
DTXSID0064200- UNII
- FQH4U4VY8P
- EC Number
- 228-533-6
- Nikkaji
- J35.497J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 64,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 152
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 208 °C · 208 °C (lit.)
- Dichte
- 1.056 g/mL · 1.056 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.435(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 4.92 · 4.92±0.20(Predicted)
- Aggregatzustand
- Viscous Liquid
- Farbe
- Clear light yellow to yellow
- Wasserlöslichkeit
- Moderately soluble in water.
- InChI
- InChI=1S/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3
- InChIKey
- LJDNMOCAQVXVKY-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CNCC(OCC)=O
- CAS Datenbank
- 6290 · 6290-05-7(CAS DataBase Reference)
- EPA chemische Informationen
- Glycine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester (6290-05-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 29252900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenIt is mainly used for the manufacture of N-(Phosphonomethyl) iminodiacetic acid and glyphosate. Used as raw material for ion exchange resin; for rubbers, electroplating and food additives.
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